3-(aminomethyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid

C5H7N3O3 — CID 82415964

IUPAC3-(aminomethyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
SMILESNCc1[nH][nH]c(=O)c1C(=O)O
InChIInChI=1S/C5H7N3O3/c6-1-2-3(5(10)11)4(9)8-7-2/h1,6H2,(H,10,11)(H2,7,8,9)
InChIKeyLGYRPLCDFPHSAN-UHFFFAOYSA-N
MW157.13 g/mol
LogP-1.14
Rot. Bonds2

About 3-(aminomethyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid

3-(aminomethyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid (PubChem CID 82415964) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is 3-(aminomethyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(aminomethyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
PubChem CID82415964
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC Name3-(aminomethyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
SMILESNCc1[nH][nH]c(=O)c1C(=O)O
InChIInChI=1S/C5H7N3O3/c6-1-2-3(5(10)11)4(9)8-7-2/h1,6H2,(H,10,11)(H2,7,8,9)
InChIKeyLGYRPLCDFPHSAN-UHFFFAOYSA-N
XLogP-1.14
TPSA111.97 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid?
The IUPAC name of 3-(aminomethyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid (CID 82415964) is 3-(aminomethyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(aminomethyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid?
The canonical SMILES for 3-(aminomethyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid is NCc1[nH][nH]c(=O)c1C(=O)O.
What is the InChIKey of 3-(aminomethyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid?
The InChIKey is LGYRPLCDFPHSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3/c6-1-2-3(5(10)11)4(9)8-7-2/h1,6H2,(H,10,11)(H2,7,8,9).
What are the key properties of 3-(aminomethyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid?
3-(aminomethyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid has a molecular weight of 157.13 g/mol, XLogP of -1.14, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid is sourced from PubChem (CID 82415964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).